Registration Dossier
Registration Dossier
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EC number: 223-810-8 | CAS number: 4083-64-1
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The partition coefficient of p-toluenesulfonyl isocyanate could not be determined experimentally due to its instability in contact with water. Instead, for risk assessment purposes the value for its metabolite p-toluenesulfonamide is used: 0.6 at 30ºC.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.6
- at the temperature of:
- 30 °C
Additional information
Due to its instability in contact with water, the partition coefficient of p-toluenesulfonyl isocyanate (PTSI) cannot be determined experimentally.
According to column 2 of REACH Annex VII, the partition coefficient (required in section 7.8) is to be calculated instead. The calculated log Kow of PTSI is 2.34. However, as PTSI instantaneously reacts to PTSA (p-toluenesulfonamide, CAS 70-55-3) when in contact with water, this value is of no relevance for the environmental risk assessment. PTSA is considered to be the relevant substance for the partition coefficient. Therefore, the partition coefficient of the metabolite PTSA is used instead. The partition coefficient for PTSA, obtained in a non-GLP test according to OECD guideline 117 using the HPLC method, is 0.6 at 30ºC.
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